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EC number: 268-594-6 | CAS number: 68130-51-8
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 06. Jun. 2018 to 07. Jun. 2018
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Version / remarks:
- OECD Guidelines for the Testing of Chemicals, Method No. 117, adopted 13. April 2004: “Partition Coefficient (n-octanol/water), High Performance Liquid Chromatography (HPLC) Method“.
- Deviations:
- yes
- Remarks:
- See "Any other information" for details
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- Version / remarks:
- Commission Regulation (EU) 2016/266 adopted 7 December 2015 amending Regulation EC No. 440/2008, Method A.24 “Partition Coefficient (N-OCTANOL/WATER), HIGH PERFORMANCE LIQUID CHROMATOGRAPHY (HPLC) METHOD
- Deviations:
- yes
- Remarks:
- See "Any other information" fro details
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- No further details specified in the study report.
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- > 6.5
- Temp.:
- 25 °C
- Remarks on result:
- other: pH not specified
- Details on results:
- Result
As peaks 10 and 11 showed a relative area < 5 %, they were considered as minor peaks.
The test substance peaks showed retention times between 45.07 and 48.98 minutes. The calculation of the log POW of all peaks of the test item is not possible, because the peaks eluted outside the isocratic part of the HPLC program (40 min.). Extrapolation is therefore not possible.
In conclusion, the test item consists of components that have a log POW far outside the range of the reference item with the highest log Pow (6.5). Therefore, the log POW of the test item is stated as a > 6.5
DISCUSSION
Variations in the retention times of reference items and test item are very small. Therefore, a stable configuration of the HPLC-column can be assumed.
The correlation log k/log POW is good: the coefficient of determination r2 was calculated with 0.9926. This value was considered as sufficiently high to use the calibration function for the determination of the log POW of the test item Hatcol 1570.
The test item peaks showed retention times between 45.07 and 48.98 minutes. All peaks eluted after the reference item with highest log Pow, DDT (log POW = 6.5). The determination was precise with very low relative standard deviations of < 0.2 %. The calculation of the log POW of the test substance.is not possible, because the peaks eluted outside the isocratic part of the HPLC program (40 min.). Extrapolation is therefore not possible.
In conclusion, the test item consists of components that have a log POW far outside the range of the reference item with the highest log Pow (6.5). Therefore, the log POW of the test item is stated as a > 6.5.
No observations were made which might cause doubts concerning the validity of the study outcome. - Conclusions:
- In conclusion, the test item consists of components that have a log POW far outside the range of the reference item with the highest log Pow (6.5). Therefore, the log POW of the test item is stated as a > 6.5
- Executive summary:
Determination of the log POW of Hatcol 1570 using the HPLC method according to OECD 117 resp. EU A.24
Findings:
The study was performed using a HPLC with a C18 column. Seven reference items with different retention times and thiourea for the determination of the dead time were used to produce a calibration curve, since retention time on hydrophobic columns and POW are correlated. The reference items were chosen based on the results of the pre-test.
One vial was filled with the reference item mix and one vial with the test item solution. The vials were analysed using the HPLC with the program described below. First one injection from the solvent blank methanol was made. Then three injections were measured from the reference item mix, three injections from the test item and again three injections from the reference item mix.
Pre-tests with UV-detection (non-GLP) were performed using the standard eluent system methanol/water 75/25 %, but no peaks were detected in the test substance solution. Therefore, a washing step with up to 100% methanol appended after elution of the last reference item. Significant differences between blank and test substance solution were detected with the washing step. This showed that test substance peaks are detectable and are eluted from the HPLC column after DDT. DDT is the reference substance with the highest retention time.
For each reference substance, the capacity factor k was calculated from the retention time of thiourea and the retention time of the respective reference substance.
A calibration function (log k versus log POW, linear fit) was determined using the literature values for POW of the reference substances and the retention times in the six determinations.
The test item peaks showed retention times between 45.07 and 48.98 minutes. All peaks eluted after the reference substance with highest log Pow, DDT (log POW = 6.5). The determination was precise with very low relative standard deviations of < 0.2 %. The calculation of the log POW of the test substance is not possible, because the peaks eluted outside the isocratic part of the HPLC program (40 min.). Extrapolation is therefore not possible.
In conclusion, the test item consists of components that have a log POW far outside the range of the reference item with the highest log Pow (6.5). Therefore, the log POW of the test item is stated as > 6.5.
Reference
Reference Items
Measurement Data
Retention Time (RT) of Reference Items and dead time marker
Compound |
RT 1 |
RT 2 |
RT 3 |
RT 4 |
RT 5 |
RT 6 |
Min. |
Min. |
Min. |
Min. |
Min. |
Min. |
|
Thiourea |
1.436 |
1.436 |
1.437 |
1.437 |
1.437 |
1.437 |
Acetophenone |
2.190 |
2.190 |
2.190 |
2.193 |
2.193 |
2.193 |
Naphthalene |
5.150 |
5.140 |
5.146 |
5.150 |
5.153 |
5.153 |
Diphenyl ether |
6.811 |
6.800 |
6.801 |
6.816 |
6.818 |
6.812 |
Phenanthrene |
9.667 |
9.647 |
9.650 |
9.671 |
9.671 |
9.660 |
Fluoranthene |
13.378 |
13.352 |
13.359 |
13.386 |
13.386 |
13.369 |
Triphenylamine |
23.192 |
23.171 |
23.166 |
23.249 |
23.240 |
23.205 |
4,4’-DDT |
31.826 |
31.806 |
31.792 |
31.934 |
31.913 |
31.867 |
Calculated Values
Capacity factors of the Reference items and dead time marker
Compound |
Retention Time Mean |
Retention Time Standard Deviation |
Retention Time Relative Standard Deviation |
k |
Min. |
Min. |
% |
||
Thiourea |
1.437 |
0.000 |
0.019 |
0.0000 |
Acetophenone |
2.192 |
0.002 |
0.078 |
0.5257 |
Naphthalene |
5.149 |
0.005 |
0.096 |
2.5842 |
Diphenyl ether |
6.809 |
0.007 |
0.109 |
3.7403 |
Phenanthrene |
9.661 |
0.011 |
0.109 |
5.7252 |
Fluoranthene |
13.372 |
0.014 |
0.106 |
8.3084 |
Triphenylamine |
23.204 |
0.035 |
0.149 |
15.1529 |
4,4’-DDT |
31.856 |
0.058 |
0.183 |
21.1762 |
Log Pow / log k
Log k and log Pow of Reference Items
Compound |
Log k |
Log Pow |
Acetophenone |
-0.2793 |
1.70 |
Naphthalene |
0.4123 |
3.60 |
Diphenyl ether |
0.5729 |
4.20 |
Phenanthrene |
0.7578 |
4.50 |
Fluoranthene |
0.9195 |
5.10 |
Triphenylamine |
1.1805 |
5.70 |
4,4’-DDT |
1.3258 |
6.50 |
Test Item Hatcol 1570
Measurement Data
Retention Time (RT), Test Item
Measurement |
RT 1 |
RT 2 |
RT 3 |
RT 4 |
RT 5 |
RT 6 |
|
Min. |
Min. |
Min. |
Min. |
Min. |
Min. |
Measurement 1 |
45.068 |
45.376 |
45.646 |
45.940 |
46.227 |
46.581 |
Measurement 2 |
45.063 |
45.370 |
45.637 |
45.932 |
46.219 |
46.573 |
Measurement 3 |
45.067 |
45.375 |
45.643 |
45.936 |
46.223 |
46.573 |
Mean |
45.066 |
45.374 |
45.642 |
45.936 |
46.233 |
46.575 |
Standard Deviation |
0.003 |
0.003 |
0.004 |
0.004 |
0.004 |
0.005 |
Measurement |
RT 7 |
RT 8 |
RT 9 |
RT 10 |
RT 11 |
|
|
Min. |
Min. |
Min. |
Min. |
Min. |
|
Measurement 1 |
46.966 |
47.367 |
47.855 |
48.382 |
48.983 |
|
Measurement 2 |
46.956 |
47.358 |
47.844 |
48.368 |
48.975 |
|
Measurement 3 |
46.959 |
47.364 |
47.852 |
48.377 |
48.984 |
|
Mean |
46.960 |
47.363 |
47.850 |
48.376 |
48.980 |
|
Standard Deviation |
0.005 |
0.005 |
0.006 |
0.007 |
0.005 |
Peak Areas, Test Item
Measurement |
Area Peak 1 |
Relative Area Peak 1 |
Area Peak 2 |
Relative Area Peak 2 |
mAU*min |
% |
mAU*min |
% |
|
Measurement 1 |
2.0509 |
9.53 |
1.5906 |
7.39 |
Measurement 2 |
1.7168 |
8.14 |
1.6274 |
7.72 |
Measurement 3 |
1.8883 |
9.26 |
1.5800 |
7.75 |
Mean |
1.8853 |
8.98 |
1.5993 |
7.62 |
Relative Standard Deviation |
8.86% |
8.17% |
1.56% |
2.64% |
Measurement |
Area Peak 3 |
Relative Area Peak 3 |
Area Peak 4 |
Relative Area Peak 4 |
mAU*min |
% |
mAU*min |
% |
|
Measurement 1 |
2.3539 |
10.93 |
2.9562 |
13.73 |
Measurement 2 |
2.4721 |
11.73 |
3.1346 |
14.87 |
Measurement 3 |
2.3483 |
11.52 |
2.9500 |
14.47 |
Mean |
2.3914 |
11.39 |
3.0136 |
14.36 |
Relative Standard Deviation |
2.92% |
3.62% |
3.48% |
4.03% |
Measurement |
Area Peak 5 |
Relative Area Peak 5 |
Area Peak 6 |
Relative Area Peak 6 |
mAU*min |
% |
mAU*min |
% |
|
Measurement 1 |
1.4337 |
6.66 |
3.2905 |
15.28 |
Measurement 2 |
1.4662 |
6.96 |
3.3265 |
15.78 |
Measurement 3 |
1.3668 |
6.70 |
3.2012 |
15.70 |
Mean |
1.4222 |
6.77 |
3.2727 |
15.59 |
Relative Standard Deviation |
3.56% |
2.36% |
1.97% |
1.72% |
Measurement |
Area Peak 7 |
Relative Area Peak 7 |
Area Peak 8 |
Relative Area Peak 8 |
mAU*min |
% |
mAU*min |
% |
|
Measurement 1 |
2.4561 |
11.41 |
1.8864 |
8.76 |
Measurement 2 |
2.1305 |
10.1 |
1.6930 |
8.03 |
Measurement 3 |
2.0491 |
10.05 |
1.6157 |
7.93 |
Mean |
2.2119 |
10.52 |
1.732 |
8.24 |
Relative Standard Deviation |
9.74% |
7.30% |
8.05% |
5.53% |
Measurement |
Area Peak 9 |
Relative Area Peak 9 |
Area Peak 10 |
Relative Area Peak 10 |
mAU*min |
% |
mAU*min |
% |
|
Measurement 1 |
1.8167 |
8.44 |
0.8219 |
3.82 |
Measurement 2 |
1.8331 |
8.70 |
0.8347 |
3.96 |
Measurement 3 |
1.7624 |
8.64 |
0.8063 |
3.96 |
Mean |
1.8041 |
8.59 |
0.821 |
3.91 |
Relative Standard Deviation |
2.05% |
1.59% |
1.73% |
2.07% |
Measurement |
Area Peak 11 |
Relative Area Peak 11 |
|
|
mAU*min |
% |
|||
Measurement 1 |
0.8728 |
4.05 |
||
Measurement 2 |
0.8440 |
4.00 |
||
Measurement 3 |
0.8187 |
4.02 |
||
Mean |
0.8452 |
4.02 |
||
Relative Standard Deviation |
3.20% |
0.65% |
As peaks 10 and 11, showed a relative area < 5%, they were considered as minor peaks.
Calculated Values
Capacity Factor, log Capacity Factor, log Pow Test Item Peaks
Peak |
Measurement No. |
k |
Log k |
Log Pow |
1 |
1 |
30.3737 |
1.4825 |
6.751 |
2 |
30.3701 |
1.4824 |
6.751 |
|
3 |
30.3729 |
1.4825 |
6.751 |
|
Mean |
|
|
6.751 |
|
Standard Deviation |
|
|
0.000 |
|
2 |
1 |
30.5879 |
1.4855 |
6.760 |
2 |
30.5839 |
1.4855 |
6.760 |
|
3 |
30.5868 |
1.4855 |
6.760 |
|
Mean |
|
|
6.760 |
|
Standard Deviation |
|
|
0.000 |
|
3 |
1 |
30.7760 |
1.4882 |
6.768 |
2 |
30.7698 |
1.4881 |
6.767 |
|
3 |
30.7736 |
1.4882 |
6.767 |
|
Mean |
|
|
6.767 |
|
Standard Deviation |
|
|
0.000 |
|
4 |
1 |
30.9805 |
1.4911 |
6.776 |
2 |
30.9751 |
1.4910 |
6.776 |
|
3 |
30.9778 |
1.4911 |
6.776 |
|
Mean |
|
|
6.776 |
|
Standard Deviation |
|
|
0.000 |
|
5 |
1 |
31.1800 |
1.4939 |
6.784 |
2 |
31.1747 |
1.4938 |
6.784 |
|
3 |
31.1773 |
1.4938 |
6.784 |
|
Mean |
|
|
6.784 |
|
Standard Deviation |
|
|
0.000 |
|
6 |
1 |
31.4266 |
1.4973 |
6.794 |
2 |
31.4208 |
1.4972 |
6.794 |
|
3 |
31.4208 |
1.4972 |
6.794 |
|
Mean |
|
|
6.794 |
|
Standard Deviation |
|
|
0.000 |
|
7 |
1 |
31.6944 |
1.5010 |
6.805 |
2 |
31.6877 |
1.5009 |
6.804 |
|
3 |
31.6895 |
1.5009 |
6.804 |
|
Mean |
|
|
6.805 |
|
Standard Deviation |
|
|
0.000 |
|
8 |
1 |
31.9738 |
1.5048 |
6.816 |
2 |
31.9673 |
1.5047 |
6.815 |
|
3 |
31.9716 |
1.5048 |
6.816 |
|
Mean |
|
|
6.816 |
|
Standard Deviation |
|
|
0.000 |
|
9 |
1 |
32.3136 |
1.5094 |
6.829 |
2 |
32.3061 |
1.5093 |
6.829 |
|
3 |
32.3112 |
1.5094 |
6.829 |
|
Mean |
|
|
6.829 |
|
Standard Deviation |
|
|
0.000 |
|
10 |
1 |
32.6802 |
1.5143 |
6.843 |
2 |
32.6710 |
1.5142 |
6.843 |
|
3 |
32.6772 |
1.5172 |
6.843 |
|
Mean |
|
|
6.843 |
|
Standard Deviation |
|
|
0.000 |
|
11 |
1 |
33.0986 |
1.5198 |
6.859 |
2 |
33.0931 |
1.5197 |
6.859 |
|
3 |
33.0992 |
1.5198 |
6.859 |
|
Mean |
|
|
6.859 |
|
Standard Deviation |
|
|
0.000 |
Log Pow was calculated from the capacity factor as follows:
Log Pow = (log k + 0.8393) / 0.3439
Description of key information
The log POW of the test item is stated as > 6.5.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 6.5
- at the temperature of:
- 25 °C
Additional information
The test item peaks showed retention times between 45.07 and 48.98 minutes. All peaks eluted after the reference substance with highest log Pow, DDT (log POW = 6.5). The determination was precise with very low relative standard deviations of < 0.2 %. The calculation of the log POW of the test substance is not possible, because the peaks eluted outside the isocratic part of the HPLC program (40 min.). Extrapolation is therefore not possible.
In conclusion, the test item consists of components that have a log POW far outside the range of the reference item with the highest log Pow (6.5). Therefore, the log POW of the test item is stated as > 6.5.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.